SCHEMBL28587990

SCHEMBL28587990

CC(Br)C1CCCN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.50
▸ MAPT P10636 2/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ HPGD P15428 1/20 0.48
▸ EPHX1 P07099 1/20 0.46
▸ USP30 Q70CQ3 2/20 0.43
▸ NPC1 O15118 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ PREP P48147 2/20 0.41
▸ USP2 O75604 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ GPR119 Q8TDV5 1/20 0.40
▸ RECQL P46063 1/20 0.40
▸ TRPV3 Q8NET8 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL28568699 0.91 HPGD (0.47) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL14921078 0.91 HPGD (0.47) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL25597565 0.88 ALDH1A1 (0.52) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL12125458 0.88 ALDH1A1 (0.52) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL12384596 0.88 ALDH1A1 (0.52) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL29912970 0.87 ALDH1A1 (0.51) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL13400340 0.87 ALDH1A1 (0.51) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL14029688 0.87 ALDH1A1 (0.51) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL7934588 0.87 ALDH1A1 (0.51) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL13400338 0.87 ALDH1A1 (0.51) ALDH1A1MAPTMEN1KMT2AHPGD

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118955490-A O-glycoprotein-2-acetamido-2-deoxy-3-D-pyranoside enzyme inhibitors 渤健马萨诸塞州股份有限公司 2024-11-15 — — CN disclosed
CN-112218863-B O-glycoprotein-2-acetamido-2-deoxy-3-D-pyranoside enzyme inhibitors 比奥根MA公司 2024-07-12 — — CN disclosed
CN-112218863-A O-glycoprotein-2-acetamido-2-deoxy-3-D-pyranosidase inhibitors 比奥根MA公司 2021-01-12 — — CN disclosed
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